CID 578742

4-dodecyl-o-cresol

Structural Information

Molecular Formula
C19H32O
SMILES
CCCCCCCCCCCCC1=CC(=C(C=C1)O)C
InChI
InChI=1S/C19H32O/c1-3-4-5-6-7-8-9-10-11-12-13-18-14-15-19(20)17(2)16-18/h14-16,20H,3-13H2,1-2H3
InChIKey
RJLWSJUUDKAMPQ-UHFFFAOYSA-N
Compound name
4-dodecyl-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

276.24533 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.25261 172.3
[M+Na]+ 299.23455 184.1
[M+NH4]+ 294.27915 180.0
[M+K]+ 315.20849 174.8
[M-H]- 275.23805 174.5
[M+Na-2H]- 297.22000 177.0
[M]+ 276.24478 174.7
[M]- 276.24588 174.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe